arXiv:2505.23489cs.LG2025-05被引 5

用热力学解释梯度下降:学习率决定权重熵与损失的平衡

SGD as Free Energy Minimization: A Thermodynamic View on Neural Network Training

  • 将SGD视为自由能最小化过程,权衡损失与权重分布熵
  • 高学习率时自由能更高,导致无法收敛到最优损失
  • 适用于理解不同学习率下模型训练行为差异

我们提出一种热力学视角,解释固定学习率下随机梯度下降(SGD)在神经网络训练中的稳态行为。结果表明,SGD隐式最小化自由能函数 $F=U-TS$,其中 $U$ 为训练损失,$S$ 为权重分布熵,$T$ 由学习率决定。该视角揭示了为何高学习率会阻碍收敛至损失极小值,并说明不同学习率导致模型稳定于不同损失水平。我们在欠参数(UP)和过参数(OP)模型上实证验证了这一框架。对于UP模型,自由能最小化始终成立,温度随学习率单调上升;而对OP模型,低学习率下有效温度趋近零,使SGD直接最小化损失并收敛至最优解。这一差异归因于接近最优解时随机梯度的信噪比不同,由简化模型和神经网络实验共同支持。

原文摘要 · Abstract (English)

We present a thermodynamic interpretation of the stationary behavior of stochastic gradient descent (SGD) under fixed learning rates (LRs) in neural network training. We show that SGD implicitly minimizes a free energy function $F=U-TS$, balancing training loss $U$ and the entropy of the weights distribution $S$, with temperature $T$ determined by the LR. This perspective offers a new lens on why high LRs prevent training from converging to the loss minima and how different LRs lead to stabilization at different loss levels. We empirically validate the free energy framework on both underparameterized (UP) and overparameterized (OP) models. UP models consistently follow free energy minimization, with temperature increasing monotonically with LR, while for OP models, the temperature effectively drops to zero at low LRs, causing SGD to minimize the loss directly and converge to an optimum. We attribute this mismatch to differences in the signal-to-noise ratio of stochastic gradients near optima, supported by both a toy example and neural network experiments.

优化理论热力学深度学习

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